USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 TYR OH : rot 180:sc= 0.0245 USER MOD Set 1.2: A 23 LYS NZ :NH3+ 138:sc= 0.0232 (180deg=-0.0908) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ -177:sc= 1.21 (180deg=1.17) USER MOD Single : A 7 ASN : amide:sc= 0 K(o=0,f=0.87) USER MOD Single : A 13 LYS NZ :NH3+ 150:sc= 0.84 (180deg=0.621) USER MOD Single : A 14 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0.775) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc=-0.00535 (180deg=-0.0985) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HE2:sc= -4.45 X(o=-4.4,f=-4.2!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 177:sc=-0.000491 (180deg=-0.0192) USER MOD Single : A 33 SER OG : rot 74:sc= 0.833 USER MOD Single : A 35 SER OG : rot -110:sc= -1.25 USER MOD Single : A 36 GLN : amide:sc=-0.00355 K(o=-0.0036,f=-0.91) USER MOD Single : A 43 ASN : amide:sc= -0.873 K(o=-0.87,f=-5!) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 10.202 -5.123 -2.728 1.00 0.00 N ATOM 35 CA VAL A 3 9.134 -4.189 -3.054 1.00 0.00 C ATOM 36 C VAL A 3 8.036 -4.864 -3.867 1.00 0.00 C ATOM 37 O VAL A 3 6.891 -4.456 -3.803 1.00 0.00 O ATOM 38 CB VAL A 3 9.624 -2.897 -3.778 1.00 0.00 C ATOM 39 CG1 VAL A 3 10.599 -2.130 -2.908 1.00 0.00 C ATOM 40 CG2 VAL A 3 10.239 -3.194 -5.145 1.00 0.00 C ATOM 0 HA VAL A 3 8.728 -3.871 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 3 8.745 -2.277 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 3 10.927 -1.233 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.110 -1.846 -1.976 1.00 0.00 H new ATOM 0 HG13 VAL A 3 11.462 -2.758 -2.688 1.00 0.00 H new ATOM 0 HG21 VAL A 3 10.564 -2.262 -5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 3 11.096 -3.857 -5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.496 -3.675 -5.781 1.00 0.00 H new ATOM 50 N THR A 4 8.386 -5.930 -4.589 1.00 0.00 N ATOM 51 CA THR A 4 7.403 -6.669 -5.369 1.00 0.00 C ATOM 52 C THR A 4 6.314 -7.261 -4.453 1.00 0.00 C ATOM 53 O THR A 4 5.146 -7.325 -4.817 1.00 0.00 O ATOM 54 CB THR A 4 8.044 -7.766 -6.289 1.00 0.00 C ATOM 55 OG1 THR A 4 7.043 -8.394 -7.105 1.00 0.00 O ATOM 56 CG2 THR A 4 8.769 -8.828 -5.488 1.00 0.00 C ATOM 0 H THR A 4 9.336 -6.296 -4.647 1.00 0.00 H new ATOM 0 HA THR A 4 6.934 -5.953 -6.044 1.00 0.00 H new ATOM 0 HB THR A 4 8.771 -7.257 -6.923 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.463 -9.074 -7.673 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.197 -9.566 -6.166 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.566 -8.364 -4.907 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.066 -9.318 -4.814 1.00 0.00 H new ATOM 64 N LYS A 5 6.694 -7.633 -3.243 1.00 0.00 N ATOM 65 CA LYS A 5 5.742 -8.126 -2.288 1.00 0.00 C ATOM 66 C LYS A 5 4.939 -7.017 -1.648 1.00 0.00 C ATOM 67 O LYS A 5 3.803 -7.237 -1.225 1.00 0.00 O ATOM 68 CB LYS A 5 6.323 -9.143 -1.306 1.00 0.00 C ATOM 69 CG LYS A 5 6.365 -10.558 -1.887 1.00 0.00 C ATOM 70 CD LYS A 5 4.936 -11.097 -2.075 1.00 0.00 C ATOM 71 CE LYS A 5 4.883 -12.443 -2.779 1.00 0.00 C ATOM 72 NZ LYS A 5 3.481 -12.896 -2.968 1.00 0.00 N ATOM 0 H LYS A 5 7.657 -7.600 -2.907 1.00 0.00 H new ATOM 0 HA LYS A 5 5.017 -8.709 -2.856 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.331 -8.838 -1.026 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.726 -9.145 -0.394 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.888 -10.551 -2.843 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.925 -11.216 -1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.459 -11.187 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.356 -10.373 -2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.378 -12.369 -3.747 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.432 -13.183 -2.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.477 -13.840 -3.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.003 -12.939 -2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.980 -12.226 -3.586 1.00 0.00 H new ATOM 86 N LEU A 6 5.517 -5.831 -1.581 1.00 0.00 N ATOM 87 CA LEU A 6 4.782 -4.661 -1.128 1.00 0.00 C ATOM 88 C LEU A 6 3.725 -4.325 -2.187 1.00 0.00 C ATOM 89 O LEU A 6 2.572 -4.055 -1.858 1.00 0.00 O ATOM 90 CB LEU A 6 5.728 -3.474 -0.910 1.00 0.00 C ATOM 91 CG LEU A 6 5.119 -2.198 -0.298 1.00 0.00 C ATOM 92 CD1 LEU A 6 4.433 -2.502 1.026 1.00 0.00 C ATOM 93 CD2 LEU A 6 6.204 -1.156 -0.092 1.00 0.00 C ATOM 0 H LEU A 6 6.489 -5.652 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 6 4.301 -4.870 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.542 -3.804 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.169 -3.211 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 6 4.371 -1.810 -0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.012 -1.584 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.635 -3.227 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.160 -2.913 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.767 -0.256 0.341 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.964 -1.551 0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.661 -0.912 -1.051 1.00 0.00 H new ATOM 105 N ASN A 7 4.137 -4.391 -3.471 1.00 0.00 N ATOM 106 CA ASN A 7 3.221 -4.221 -4.618 1.00 0.00 C ATOM 107 C ASN A 7 2.094 -5.245 -4.529 1.00 0.00 C ATOM 108 O ASN A 7 0.919 -4.936 -4.753 1.00 0.00 O ATOM 109 CB ASN A 7 3.945 -4.407 -5.983 1.00 0.00 C ATOM 110 CG ASN A 7 4.796 -3.224 -6.456 1.00 0.00 C ATOM 111 OD1 ASN A 7 5.972 -3.106 -6.131 1.00 0.00 O ATOM 112 ND2 ASN A 7 4.232 -2.391 -7.291 1.00 0.00 N ATOM 0 H ASN A 7 5.106 -4.562 -3.740 1.00 0.00 H new ATOM 0 HA ASN A 7 2.832 -3.204 -4.570 1.00 0.00 H new ATOM 0 HB2 ASN A 7 4.586 -5.286 -5.916 1.00 0.00 H new ATOM 0 HB3 ASN A 7 3.194 -4.617 -6.745 1.00 0.00 H new ATOM 0 HD21 ASN A 7 4.772 -1.622 -7.687 1.00 0.00 H new ATOM 0 HD22 ASN A 7 3.252 -2.510 -7.546 1.00 0.00 H new ATOM 119 N ASP A 8 2.482 -6.463 -4.187 1.00 0.00 N ATOM 120 CA ASP A 8 1.576 -7.603 -3.990 1.00 0.00 C ATOM 121 C ASP A 8 0.509 -7.278 -2.938 1.00 0.00 C ATOM 122 O ASP A 8 -0.675 -7.597 -3.116 1.00 0.00 O ATOM 123 CB ASP A 8 2.401 -8.806 -3.530 1.00 0.00 C ATOM 124 CG ASP A 8 1.623 -10.084 -3.334 1.00 0.00 C ATOM 125 OD1 ASP A 8 0.878 -10.204 -2.344 1.00 0.00 O ATOM 126 OD2 ASP A 8 1.808 -11.025 -4.143 1.00 0.00 O ATOM 0 H ASP A 8 3.462 -6.701 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 8 1.069 -7.825 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 8 3.188 -8.988 -4.262 1.00 0.00 H new ATOM 0 HB3 ASP A 8 2.892 -8.551 -2.591 1.00 0.00 H new ATOM 131 N ARG A 9 0.937 -6.626 -1.858 1.00 0.00 N ATOM 132 CA ARG A 9 0.036 -6.231 -0.770 1.00 0.00 C ATOM 133 C ARG A 9 -0.969 -5.211 -1.271 1.00 0.00 C ATOM 134 O ARG A 9 -2.155 -5.282 -0.954 1.00 0.00 O ATOM 135 CB ARG A 9 0.815 -5.646 0.424 1.00 0.00 C ATOM 136 CG ARG A 9 1.786 -6.613 1.085 1.00 0.00 C ATOM 137 CD ARG A 9 2.553 -5.955 2.224 1.00 0.00 C ATOM 138 NE ARG A 9 1.663 -5.494 3.298 1.00 0.00 N ATOM 139 CZ ARG A 9 2.023 -4.745 4.354 1.00 0.00 C ATOM 140 NH1 ARG A 9 3.294 -4.369 4.517 1.00 0.00 N ATOM 141 NH2 ARG A 9 1.109 -4.408 5.256 1.00 0.00 N ATOM 0 H ARG A 9 1.910 -6.357 -1.710 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.487 -7.125 -0.430 1.00 0.00 H new ATOM 0 HB2 ARG A 9 1.369 -4.771 0.085 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.101 -5.301 1.172 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.238 -7.475 1.466 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.490 -6.987 0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.274 -6.663 2.631 1.00 0.00 H new ATOM 0 HD3 ARG A 9 3.121 -5.109 1.837 1.00 0.00 H new ATOM 0 HE ARG A 9 0.682 -5.767 3.237 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.000 -4.650 3.837 1.00 0.00 H new ATOM 0 HH12 ARG A 9 3.558 -3.800 5.321 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.144 -4.717 5.144 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.372 -3.840 6.061 1.00 0.00 H new ATOM 155 N ILE A 10 -0.484 -4.277 -2.079 1.00 0.00 N ATOM 156 CA ILE A 10 -1.317 -3.235 -2.670 1.00 0.00 C ATOM 157 C ILE A 10 -2.398 -3.877 -3.530 1.00 0.00 C ATOM 158 O ILE A 10 -3.564 -3.498 -3.470 1.00 0.00 O ATOM 159 CB ILE A 10 -0.475 -2.271 -3.562 1.00 0.00 C ATOM 160 CG1 ILE A 10 0.654 -1.649 -2.747 1.00 0.00 C ATOM 161 CG2 ILE A 10 -1.358 -1.173 -4.168 1.00 0.00 C ATOM 162 CD1 ILE A 10 1.570 -0.747 -3.540 1.00 0.00 C ATOM 0 H ILE A 10 0.499 -4.220 -2.344 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.762 -2.660 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 10 -0.045 -2.851 -4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.221 -1.077 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.247 -2.448 -2.301 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.747 -0.514 -4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.135 -1.628 -4.782 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.820 -0.595 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.344 -0.347 -2.885 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.035 -1.317 -4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.993 0.075 -3.964 1.00 0.00 H new ATOM 174 N GLU A 11 -1.993 -4.886 -4.278 1.00 0.00 N ATOM 175 CA GLU A 11 -2.857 -5.595 -5.203 1.00 0.00 C ATOM 176 C GLU A 11 -4.058 -6.223 -4.477 1.00 0.00 C ATOM 177 O GLU A 11 -5.212 -6.122 -4.928 1.00 0.00 O ATOM 178 CB GLU A 11 -2.046 -6.662 -5.936 1.00 0.00 C ATOM 179 CG GLU A 11 -2.735 -7.231 -7.151 1.00 0.00 C ATOM 180 CD GLU A 11 -3.056 -6.148 -8.138 1.00 0.00 C ATOM 181 OE1 GLU A 11 -2.115 -5.508 -8.667 1.00 0.00 O ATOM 182 OE2 GLU A 11 -4.236 -5.898 -8.397 1.00 0.00 O ATOM 0 H GLU A 11 -1.037 -5.242 -4.259 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.254 -4.884 -5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.092 -6.233 -6.240 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.824 -7.474 -5.244 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.096 -7.979 -7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.652 -7.739 -6.850 1.00 0.00 H new ATOM 189 N ALA A 12 -3.795 -6.817 -3.333 1.00 0.00 N ATOM 190 CA ALA A 12 -4.843 -7.449 -2.552 1.00 0.00 C ATOM 191 C ALA A 12 -5.727 -6.402 -1.894 1.00 0.00 C ATOM 192 O ALA A 12 -6.908 -6.629 -1.652 1.00 0.00 O ATOM 193 CB ALA A 12 -4.248 -8.372 -1.507 1.00 0.00 C ATOM 0 H ALA A 12 -2.864 -6.877 -2.920 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.458 -8.044 -3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.050 -8.836 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.659 -9.146 -1.999 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.607 -7.798 -0.838 1.00 0.00 H new ATOM 199 N LYS A 13 -5.175 -5.240 -1.645 1.00 0.00 N ATOM 200 CA LYS A 13 -5.939 -4.194 -1.015 1.00 0.00 C ATOM 201 C LYS A 13 -6.875 -3.552 -2.001 1.00 0.00 C ATOM 202 O LYS A 13 -7.953 -3.106 -1.629 1.00 0.00 O ATOM 203 CB LYS A 13 -5.062 -3.170 -0.284 1.00 0.00 C ATOM 204 CG LYS A 13 -4.332 -3.734 0.936 1.00 0.00 C ATOM 205 CD LYS A 13 -5.304 -4.310 1.974 1.00 0.00 C ATOM 206 CE LYS A 13 -6.195 -3.244 2.615 1.00 0.00 C ATOM 207 NZ LYS A 13 -5.439 -2.320 3.486 1.00 0.00 N ATOM 0 H LYS A 13 -4.209 -4.997 -1.866 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.544 -4.659 -0.237 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.326 -2.772 -0.983 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.685 -2.334 0.033 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.640 -4.513 0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.735 -2.947 1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.932 -5.062 1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.736 -4.817 2.754 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -6.693 -2.673 1.831 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.975 -3.731 3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.899 -1.387 3.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.419 -2.695 4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.466 -2.226 3.131 1.00 0.00 H new ATOM 221 N LYS A 14 -6.459 -3.520 -3.263 1.00 0.00 N ATOM 222 CA LYS A 14 -7.300 -3.026 -4.346 1.00 0.00 C ATOM 223 C LYS A 14 -8.561 -3.866 -4.410 1.00 0.00 C ATOM 224 O LYS A 14 -9.671 -3.349 -4.329 1.00 0.00 O ATOM 225 CB LYS A 14 -6.601 -3.190 -5.689 1.00 0.00 C ATOM 226 CG LYS A 14 -5.282 -2.483 -5.861 1.00 0.00 C ATOM 227 CD LYS A 14 -4.659 -2.949 -7.152 1.00 0.00 C ATOM 228 CE LYS A 14 -3.298 -2.341 -7.419 1.00 0.00 C ATOM 229 NZ LYS A 14 -2.737 -2.832 -8.700 1.00 0.00 N ATOM 0 H LYS A 14 -5.536 -3.834 -3.562 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.515 -1.974 -4.156 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.440 -4.254 -5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.278 -2.840 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.430 -1.403 -5.879 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.622 -2.701 -5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.565 -4.035 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -5.326 -2.703 -7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.381 -1.255 -7.447 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.619 -2.588 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.010 -2.169 -9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.310 -3.769 -8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.496 -2.903 -9.407 1.00 0.00 H new ATOM 243 N LYS A 15 -8.369 -5.187 -4.495 1.00 0.00 N ATOM 244 CA LYS A 15 -9.479 -6.107 -4.642 1.00 0.00 C ATOM 245 C LYS A 15 -10.390 -6.111 -3.423 1.00 0.00 C ATOM 246 O LYS A 15 -11.611 -6.239 -3.548 1.00 0.00 O ATOM 247 CB LYS A 15 -9.007 -7.524 -5.085 1.00 0.00 C ATOM 248 CG LYS A 15 -8.111 -8.299 -4.132 1.00 0.00 C ATOM 249 CD LYS A 15 -8.849 -8.856 -2.916 1.00 0.00 C ATOM 250 CE LYS A 15 -9.868 -9.932 -3.274 1.00 0.00 C ATOM 251 NZ LYS A 15 -9.247 -11.131 -3.877 1.00 0.00 N ATOM 0 H LYS A 15 -7.452 -5.633 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 15 -10.101 -5.740 -5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -9.894 -8.128 -5.278 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.479 -7.421 -6.033 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.646 -9.123 -4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.307 -7.647 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.123 -9.270 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.357 -8.040 -2.402 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.413 -10.223 -2.376 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.598 -9.518 -3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.953 -11.891 -3.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.896 -10.899 -4.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.454 -11.447 -3.283 1.00 0.00 H new ATOM 265 N GLU A 16 -9.793 -5.920 -2.258 1.00 0.00 N ATOM 266 CA GLU A 16 -10.526 -5.878 -1.020 1.00 0.00 C ATOM 267 C GLU A 16 -11.373 -4.613 -0.983 1.00 0.00 C ATOM 268 O GLU A 16 -12.549 -4.659 -0.644 1.00 0.00 O ATOM 269 CB GLU A 16 -9.553 -5.940 0.163 1.00 0.00 C ATOM 270 CG GLU A 16 -10.214 -6.012 1.526 1.00 0.00 C ATOM 271 CD GLU A 16 -9.211 -6.143 2.638 1.00 0.00 C ATOM 272 OE1 GLU A 16 -8.732 -5.119 3.144 1.00 0.00 O ATOM 273 OE2 GLU A 16 -8.885 -7.286 3.038 1.00 0.00 O ATOM 0 H GLU A 16 -8.787 -5.791 -2.152 1.00 0.00 H new ATOM 0 HA GLU A 16 -11.191 -6.739 -0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.909 -6.811 0.041 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.909 -5.061 0.133 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.814 -5.116 1.684 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.896 -6.862 1.553 1.00 0.00 H new ATOM 280 N LEU A 17 -10.774 -3.502 -1.398 1.00 0.00 N ATOM 281 CA LEU A 17 -11.448 -2.213 -1.453 1.00 0.00 C ATOM 282 C LEU A 17 -12.657 -2.307 -2.380 1.00 0.00 C ATOM 283 O LEU A 17 -13.756 -1.913 -2.000 1.00 0.00 O ATOM 284 CB LEU A 17 -10.436 -1.110 -1.907 1.00 0.00 C ATOM 285 CG LEU A 17 -10.889 0.384 -1.933 1.00 0.00 C ATOM 286 CD1 LEU A 17 -11.806 0.707 -3.102 1.00 0.00 C ATOM 287 CD2 LEU A 17 -11.554 0.771 -0.628 1.00 0.00 C ATOM 0 H LEU A 17 -9.802 -3.472 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.814 -1.935 -0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.566 -1.176 -1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -10.101 -1.367 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.982 0.974 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -12.086 1.760 -3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.287 0.502 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -12.703 0.091 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -11.860 1.816 -0.672 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.430 0.143 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.851 0.633 0.194 1.00 0.00 H new ATOM 299 N ILE A 18 -12.449 -2.872 -3.569 1.00 0.00 N ATOM 300 CA ILE A 18 -13.518 -3.049 -4.558 1.00 0.00 C ATOM 301 C ILE A 18 -14.682 -3.832 -3.943 1.00 0.00 C ATOM 302 O ILE A 18 -15.837 -3.390 -4.004 1.00 0.00 O ATOM 303 CB ILE A 18 -12.998 -3.794 -5.825 1.00 0.00 C ATOM 304 CG1 ILE A 18 -11.865 -2.991 -6.479 1.00 0.00 C ATOM 305 CG2 ILE A 18 -14.133 -4.028 -6.830 1.00 0.00 C ATOM 306 CD1 ILE A 18 -11.179 -3.707 -7.621 1.00 0.00 C ATOM 0 H ILE A 18 -11.540 -3.219 -3.875 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.863 -2.059 -4.858 1.00 0.00 H new ATOM 0 HB ILE A 18 -12.614 -4.766 -5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -12.268 -2.047 -6.846 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.122 -2.746 -5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -13.743 -4.549 -7.704 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -14.912 -4.632 -6.365 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -14.552 -3.069 -7.136 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -10.392 -3.072 -8.028 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.743 -4.638 -7.258 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -11.907 -3.928 -8.402 1.00 0.00 H new ATOM 318 N TYR A 19 -14.347 -4.950 -3.309 1.00 0.00 N ATOM 319 CA TYR A 19 -15.313 -5.831 -2.658 1.00 0.00 C ATOM 320 C TYR A 19 -16.083 -5.086 -1.555 1.00 0.00 C ATOM 321 O TYR A 19 -17.306 -5.248 -1.403 1.00 0.00 O ATOM 322 CB TYR A 19 -14.570 -7.047 -2.075 1.00 0.00 C ATOM 323 CG TYR A 19 -15.440 -8.067 -1.367 1.00 0.00 C ATOM 324 CD1 TYR A 19 -16.261 -8.926 -2.085 1.00 0.00 C ATOM 325 CD2 TYR A 19 -15.419 -8.186 0.020 1.00 0.00 C ATOM 326 CE1 TYR A 19 -17.035 -9.871 -1.445 1.00 0.00 C ATOM 327 CE2 TYR A 19 -16.195 -9.128 0.666 1.00 0.00 C ATOM 328 CZ TYR A 19 -17.001 -9.968 -0.072 1.00 0.00 C ATOM 329 OH TYR A 19 -17.771 -10.919 0.564 1.00 0.00 O ATOM 0 H TYR A 19 -13.384 -5.276 -3.231 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.042 -6.169 -3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.039 -7.548 -2.884 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -13.817 -6.688 -1.373 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -16.294 -8.853 -3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -14.786 -7.531 0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -17.666 -10.533 -2.019 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -16.171 -9.206 1.743 1.00 0.00 H new ATOM 0 HH TYR A 19 -17.633 -10.858 1.532 1.00 0.00 H new ATOM 339 N LEU A 20 -15.379 -4.261 -0.814 1.00 0.00 N ATOM 340 CA LEU A 20 -15.978 -3.492 0.254 1.00 0.00 C ATOM 341 C LEU A 20 -16.879 -2.389 -0.293 1.00 0.00 C ATOM 342 O LEU A 20 -17.904 -2.075 0.298 1.00 0.00 O ATOM 343 CB LEU A 20 -14.903 -2.943 1.193 1.00 0.00 C ATOM 344 CG LEU A 20 -14.057 -4.014 1.906 1.00 0.00 C ATOM 345 CD1 LEU A 20 -12.946 -3.385 2.707 1.00 0.00 C ATOM 346 CD2 LEU A 20 -14.920 -4.897 2.798 1.00 0.00 C ATOM 0 H LEU A 20 -14.378 -4.104 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 20 -16.614 -4.157 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.237 -2.296 0.621 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -15.384 -2.319 1.947 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.611 -4.642 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -12.366 -4.165 3.199 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.297 -2.814 2.043 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -13.371 -2.720 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -14.293 -5.643 3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -15.410 -4.283 3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.675 -5.398 2.193 1.00 0.00 H new ATOM 358 N VAL A 21 -16.522 -1.826 -1.431 1.00 0.00 N ATOM 359 CA VAL A 21 -17.371 -0.828 -2.076 1.00 0.00 C ATOM 360 C VAL A 21 -18.659 -1.492 -2.588 1.00 0.00 C ATOM 361 O VAL A 21 -19.726 -0.883 -2.588 1.00 0.00 O ATOM 362 CB VAL A 21 -16.654 -0.075 -3.235 1.00 0.00 C ATOM 363 CG1 VAL A 21 -17.588 0.937 -3.888 1.00 0.00 C ATOM 364 CG2 VAL A 21 -15.423 0.636 -2.725 1.00 0.00 C ATOM 0 H VAL A 21 -15.657 -2.037 -1.930 1.00 0.00 H new ATOM 0 HA VAL A 21 -17.613 -0.079 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 21 -16.360 -0.816 -3.979 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -17.063 1.449 -4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -18.459 0.421 -4.292 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -17.911 1.666 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -14.936 1.156 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -15.710 1.357 -1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -14.734 -0.092 -2.297 1.00 0.00 H new ATOM 374 N GLU A 22 -18.552 -2.736 -3.010 1.00 0.00 N ATOM 375 CA GLU A 22 -19.713 -3.498 -3.460 1.00 0.00 C ATOM 376 C GLU A 22 -20.712 -3.661 -2.307 1.00 0.00 C ATOM 377 O GLU A 22 -21.910 -3.399 -2.451 1.00 0.00 O ATOM 378 CB GLU A 22 -19.292 -4.897 -3.938 1.00 0.00 C ATOM 379 CG GLU A 22 -18.332 -4.926 -5.113 1.00 0.00 C ATOM 380 CD GLU A 22 -18.934 -4.401 -6.384 1.00 0.00 C ATOM 381 OE1 GLU A 22 -19.666 -5.145 -7.049 1.00 0.00 O ATOM 382 OE2 GLU A 22 -18.645 -3.266 -6.777 1.00 0.00 O ATOM 0 H GLU A 22 -17.671 -3.248 -3.053 1.00 0.00 H new ATOM 0 HA GLU A 22 -20.173 -2.954 -4.285 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.831 -5.424 -3.102 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -20.189 -5.454 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -17.449 -4.336 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.996 -5.950 -5.274 1.00 0.00 H new ATOM 389 N LYS A 23 -20.203 -4.076 -1.165 1.00 0.00 N ATOM 390 CA LYS A 23 -21.038 -4.376 -0.007 1.00 0.00 C ATOM 391 C LYS A 23 -21.426 -3.143 0.826 1.00 0.00 C ATOM 392 O LYS A 23 -22.565 -3.023 1.278 1.00 0.00 O ATOM 393 CB LYS A 23 -20.367 -5.434 0.873 1.00 0.00 C ATOM 394 CG LYS A 23 -20.116 -6.773 0.175 1.00 0.00 C ATOM 395 CD LYS A 23 -21.410 -7.378 -0.360 1.00 0.00 C ATOM 396 CE LYS A 23 -21.186 -8.749 -0.976 1.00 0.00 C ATOM 397 NZ LYS A 23 -20.813 -9.768 0.036 1.00 0.00 N ATOM 0 H LYS A 23 -19.205 -4.216 -1.008 1.00 0.00 H new ATOM 0 HA LYS A 23 -21.974 -4.767 -0.405 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -19.415 -5.041 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -20.990 -5.607 1.750 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -19.414 -6.630 -0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -19.651 -7.467 0.875 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.134 -7.459 0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -21.840 -6.711 -1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.093 -9.066 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.400 -8.683 -1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -21.319 -10.655 -0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -19.788 -9.938 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.071 -9.426 0.984 1.00 0.00 H new ATOM 411 N TYR A 24 -20.504 -2.255 1.039 1.00 0.00 N ATOM 412 CA TYR A 24 -20.754 -1.101 1.889 1.00 0.00 C ATOM 413 C TYR A 24 -21.084 0.142 1.085 1.00 0.00 C ATOM 414 O TYR A 24 -21.999 0.890 1.429 1.00 0.00 O ATOM 415 CB TYR A 24 -19.560 -0.849 2.808 1.00 0.00 C ATOM 416 CG TYR A 24 -19.306 -1.964 3.796 1.00 0.00 C ATOM 417 CD1 TYR A 24 -19.979 -2.003 5.005 1.00 0.00 C ATOM 418 CD2 TYR A 24 -18.396 -2.977 3.519 1.00 0.00 C ATOM 419 CE1 TYR A 24 -19.759 -3.014 5.911 1.00 0.00 C ATOM 420 CE2 TYR A 24 -18.171 -3.994 4.421 1.00 0.00 C ATOM 421 CZ TYR A 24 -18.854 -4.010 5.614 1.00 0.00 C ATOM 422 OH TYR A 24 -18.627 -5.021 6.519 1.00 0.00 O ATOM 0 H TYR A 24 -19.566 -2.295 0.641 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.629 -1.328 2.498 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -18.668 -0.706 2.198 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -19.724 0.079 3.356 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -20.690 -1.225 5.241 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -17.857 -2.967 2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -20.292 -3.027 6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -17.461 -4.775 4.192 1.00 0.00 H new ATOM 0 HH TYR A 24 -17.962 -5.642 6.156 1.00 0.00 H new ATOM 432 N GLY A 25 -20.369 0.345 0.015 1.00 0.00 N ATOM 433 CA GLY A 25 -20.574 1.521 -0.799 1.00 0.00 C ATOM 434 C GLY A 25 -19.579 2.607 -0.468 1.00 0.00 C ATOM 435 O GLY A 25 -19.307 2.881 0.710 1.00 0.00 O ATOM 0 H GLY A 25 -19.639 -0.284 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -20.486 1.255 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -21.586 1.896 -0.649 1.00 0.00 H new ATOM 439 N PHE A 26 -19.039 3.241 -1.477 1.00 0.00 N ATOM 440 CA PHE A 26 -18.059 4.264 -1.259 1.00 0.00 C ATOM 441 C PHE A 26 -18.777 5.569 -0.976 1.00 0.00 C ATOM 442 O PHE A 26 -19.190 6.281 -1.899 1.00 0.00 O ATOM 443 CB PHE A 26 -17.124 4.409 -2.473 1.00 0.00 C ATOM 444 CG PHE A 26 -15.890 5.238 -2.209 1.00 0.00 C ATOM 445 CD1 PHE A 26 -15.934 6.626 -2.213 1.00 0.00 C ATOM 446 CD2 PHE A 26 -14.684 4.619 -1.963 1.00 0.00 C ATOM 447 CE1 PHE A 26 -14.801 7.369 -1.972 1.00 0.00 C ATOM 448 CE2 PHE A 26 -13.549 5.358 -1.721 1.00 0.00 C ATOM 449 CZ PHE A 26 -13.606 6.732 -1.726 1.00 0.00 C ATOM 0 H PHE A 26 -19.264 3.064 -2.456 1.00 0.00 H new ATOM 0 HA PHE A 26 -17.437 3.991 -0.406 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -16.817 3.416 -2.802 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.681 4.859 -3.295 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -16.870 7.129 -2.408 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.629 3.540 -1.960 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.849 8.448 -1.976 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -12.612 4.858 -1.527 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.714 7.311 -1.537 1.00 0.00 H new ATOM 459 N THR A 27 -18.997 5.830 0.275 1.00 0.00 N ATOM 460 CA THR A 27 -19.635 7.040 0.690 1.00 0.00 C ATOM 461 C THR A 27 -19.329 7.329 2.152 1.00 0.00 C ATOM 462 O THR A 27 -19.054 8.467 2.517 1.00 0.00 O ATOM 463 CB THR A 27 -21.185 7.032 0.409 1.00 0.00 C ATOM 464 OG1 THR A 27 -21.788 8.251 0.865 1.00 0.00 O ATOM 465 CG2 THR A 27 -21.887 5.840 1.058 1.00 0.00 C ATOM 0 H THR A 27 -18.738 5.207 1.040 1.00 0.00 H new ATOM 0 HA THR A 27 -19.223 7.850 0.088 1.00 0.00 H new ATOM 0 HB THR A 27 -21.307 6.944 -0.671 1.00 0.00 H new ATOM 0 HG1 THR A 27 -22.750 8.229 0.681 1.00 0.00 H new ATOM 0 HG21 THR A 27 -22.953 5.880 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 27 -21.469 4.913 0.665 1.00 0.00 H new ATOM 0 HG23 THR A 27 -21.741 5.875 2.138 1.00 0.00 H new ATOM 473 N HIS A 28 -19.346 6.313 2.982 1.00 0.00 N ATOM 474 CA HIS A 28 -19.054 6.510 4.375 1.00 0.00 C ATOM 475 C HIS A 28 -17.551 6.425 4.647 1.00 0.00 C ATOM 476 O HIS A 28 -16.794 5.833 3.847 1.00 0.00 O ATOM 477 CB HIS A 28 -19.902 5.593 5.287 1.00 0.00 C ATOM 478 CG HIS A 28 -19.821 4.120 5.006 1.00 0.00 C ATOM 479 ND1 HIS A 28 -20.909 3.350 4.673 1.00 0.00 N ATOM 480 CD2 HIS A 28 -18.773 3.273 5.068 1.00 0.00 C ATOM 481 CE1 HIS A 28 -20.506 2.091 4.554 1.00 0.00 C ATOM 482 NE2 HIS A 28 -19.207 1.987 4.785 1.00 0.00 N ATOM 0 H HIS A 28 -19.557 5.351 2.717 1.00 0.00 H new ATOM 0 HA HIS A 28 -19.352 7.525 4.636 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -19.598 5.762 6.320 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -20.945 5.900 5.207 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -21.862 3.688 4.540 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -17.756 3.553 5.301 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -21.152 1.263 4.302 1.00 0.00 H new ATOM 490 N HIS A 29 -17.142 6.990 5.775 1.00 0.00 N ATOM 491 CA HIS A 29 -15.726 7.164 6.149 1.00 0.00 C ATOM 492 C HIS A 29 -14.956 5.868 6.169 1.00 0.00 C ATOM 493 O HIS A 29 -13.826 5.833 5.712 1.00 0.00 O ATOM 494 CB HIS A 29 -15.593 7.865 7.505 1.00 0.00 C ATOM 495 CG HIS A 29 -16.196 9.233 7.548 1.00 0.00 C ATOM 496 ND1 HIS A 29 -17.385 9.532 8.176 1.00 0.00 N ATOM 497 CD2 HIS A 29 -15.744 10.399 7.031 1.00 0.00 C ATOM 498 CE1 HIS A 29 -17.615 10.834 8.023 1.00 0.00 C ATOM 499 NE2 HIS A 29 -16.646 11.413 7.334 1.00 0.00 N ATOM 0 H HIS A 29 -17.790 7.350 6.476 1.00 0.00 H new ATOM 0 HA HIS A 29 -15.289 7.791 5.372 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -16.065 7.247 8.269 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -14.536 7.937 7.762 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -14.828 10.522 6.472 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -18.480 11.350 8.411 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -16.575 12.398 7.078 1.00 0.00 H new ATOM 507 N LYS A 30 -15.588 4.809 6.656 1.00 0.00 N ATOM 508 CA LYS A 30 -14.965 3.484 6.755 1.00 0.00 C ATOM 509 C LYS A 30 -14.308 3.062 5.422 1.00 0.00 C ATOM 510 O LYS A 30 -13.107 2.709 5.384 1.00 0.00 O ATOM 511 CB LYS A 30 -16.030 2.456 7.198 1.00 0.00 C ATOM 512 CG LYS A 30 -15.608 1.004 7.118 1.00 0.00 C ATOM 513 CD LYS A 30 -16.769 0.082 7.453 1.00 0.00 C ATOM 514 CE LYS A 30 -16.383 -1.389 7.336 1.00 0.00 C ATOM 515 NZ LYS A 30 -15.407 -1.803 8.365 1.00 0.00 N ATOM 0 H LYS A 30 -16.549 4.838 6.996 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.169 3.525 7.499 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -16.317 2.677 8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -16.919 2.592 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -15.240 0.783 6.116 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -14.784 0.822 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.114 0.287 8.467 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -17.603 0.292 6.784 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.279 -2.004 7.422 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -15.963 -1.573 6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -15.217 -2.821 8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -14.522 -1.273 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.795 -1.607 9.310 1.00 0.00 H new ATOM 529 N VAL A 31 -15.061 3.178 4.341 1.00 0.00 N ATOM 530 CA VAL A 31 -14.589 2.773 3.031 1.00 0.00 C ATOM 531 C VAL A 31 -13.555 3.759 2.486 1.00 0.00 C ATOM 532 O VAL A 31 -12.534 3.353 1.924 1.00 0.00 O ATOM 533 CB VAL A 31 -15.762 2.585 2.026 1.00 0.00 C ATOM 534 CG1 VAL A 31 -15.256 2.174 0.652 1.00 0.00 C ATOM 535 CG2 VAL A 31 -16.730 1.540 2.542 1.00 0.00 C ATOM 0 H VAL A 31 -16.010 3.553 4.348 1.00 0.00 H new ATOM 0 HA VAL A 31 -14.103 1.805 3.150 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.273 3.543 1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -16.101 2.051 -0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.589 2.944 0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -14.714 1.231 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -17.546 1.417 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.209 0.590 2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -17.132 1.860 3.504 1.00 0.00 H new ATOM 545 N ILE A 32 -13.789 5.044 2.712 1.00 0.00 N ATOM 546 CA ILE A 32 -12.880 6.083 2.231 1.00 0.00 C ATOM 547 C ILE A 32 -11.504 5.941 2.915 1.00 0.00 C ATOM 548 O ILE A 32 -10.454 6.136 2.290 1.00 0.00 O ATOM 549 CB ILE A 32 -13.455 7.507 2.478 1.00 0.00 C ATOM 550 CG1 ILE A 32 -14.851 7.631 1.843 1.00 0.00 C ATOM 551 CG2 ILE A 32 -12.516 8.567 1.896 1.00 0.00 C ATOM 552 CD1 ILE A 32 -15.541 8.955 2.112 1.00 0.00 C ATOM 0 H ILE A 32 -14.598 5.395 3.224 1.00 0.00 H new ATOM 0 HA ILE A 32 -12.765 5.953 1.155 1.00 0.00 H new ATOM 0 HB ILE A 32 -13.540 7.668 3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -14.761 7.493 0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -15.481 6.823 2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.931 9.559 2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -11.539 8.490 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -12.408 8.408 0.823 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -16.519 8.960 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.666 9.089 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.935 9.769 1.713 1.00 0.00 H new ATOM 564 N SER A 33 -11.524 5.564 4.179 1.00 0.00 N ATOM 565 CA SER A 33 -10.314 5.345 4.934 1.00 0.00 C ATOM 566 C SER A 33 -9.507 4.161 4.376 1.00 0.00 C ATOM 567 O SER A 33 -8.271 4.154 4.477 1.00 0.00 O ATOM 568 CB SER A 33 -10.633 5.151 6.415 1.00 0.00 C ATOM 569 OG SER A 33 -11.304 6.292 6.939 1.00 0.00 O ATOM 0 H SER A 33 -12.381 5.402 4.708 1.00 0.00 H new ATOM 0 HA SER A 33 -9.691 6.234 4.834 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.255 4.266 6.545 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.712 4.978 6.971 1.00 0.00 H new ATOM 0 HG SER A 33 -12.227 6.308 6.611 1.00 0.00 H new ATOM 575 N PHE A 34 -10.189 3.186 3.752 1.00 0.00 N ATOM 576 CA PHE A 34 -9.482 2.057 3.143 1.00 0.00 C ATOM 577 C PHE A 34 -8.708 2.536 1.916 1.00 0.00 C ATOM 578 O PHE A 34 -7.582 2.107 1.669 1.00 0.00 O ATOM 579 CB PHE A 34 -10.422 0.919 2.733 1.00 0.00 C ATOM 580 CG PHE A 34 -11.225 0.303 3.837 1.00 0.00 C ATOM 581 CD1 PHE A 34 -10.650 -0.003 5.057 1.00 0.00 C ATOM 582 CD2 PHE A 34 -12.564 0.034 3.647 1.00 0.00 C ATOM 583 CE1 PHE A 34 -11.403 -0.566 6.064 1.00 0.00 C ATOM 584 CE2 PHE A 34 -13.323 -0.526 4.650 1.00 0.00 C ATOM 585 CZ PHE A 34 -12.741 -0.829 5.860 1.00 0.00 C ATOM 0 H PHE A 34 -11.204 3.159 3.659 1.00 0.00 H new ATOM 0 HA PHE A 34 -8.802 1.663 3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -11.110 1.297 1.977 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -9.829 0.136 2.261 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -9.602 0.201 5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -13.024 0.266 2.698 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.945 -0.801 7.013 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -14.372 -0.727 4.488 1.00 0.00 H new ATOM 0 HZ PHE A 34 -13.331 -1.272 6.648 1.00 0.00 H new ATOM 595 N SER A 35 -9.304 3.447 1.167 1.00 0.00 N ATOM 596 CA SER A 35 -8.661 4.021 -0.004 1.00 0.00 C ATOM 597 C SER A 35 -7.405 4.805 0.395 1.00 0.00 C ATOM 598 O SER A 35 -6.411 4.840 -0.344 1.00 0.00 O ATOM 599 CB SER A 35 -9.646 4.907 -0.737 1.00 0.00 C ATOM 600 OG SER A 35 -10.800 4.167 -1.057 1.00 0.00 O ATOM 0 H SER A 35 -10.240 3.808 1.350 1.00 0.00 H new ATOM 0 HA SER A 35 -8.347 3.217 -0.670 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.911 5.763 -0.117 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.190 5.300 -1.646 1.00 0.00 H new ATOM 0 HG SER A 35 -10.838 4.023 -2.026 1.00 0.00 H new ATOM 606 N GLN A 36 -7.447 5.400 1.583 1.00 0.00 N ATOM 607 CA GLN A 36 -6.306 6.117 2.121 1.00 0.00 C ATOM 608 C GLN A 36 -5.151 5.154 2.380 1.00 0.00 C ATOM 609 O GLN A 36 -3.989 5.527 2.249 1.00 0.00 O ATOM 610 CB GLN A 36 -6.663 6.841 3.411 1.00 0.00 C ATOM 611 CG GLN A 36 -7.726 7.912 3.273 1.00 0.00 C ATOM 612 CD GLN A 36 -8.002 8.588 4.594 1.00 0.00 C ATOM 613 OE1 GLN A 36 -7.119 8.695 5.445 1.00 0.00 O ATOM 614 NE2 GLN A 36 -9.213 9.036 4.788 1.00 0.00 N ATOM 0 H GLN A 36 -8.266 5.397 2.191 1.00 0.00 H new ATOM 0 HA GLN A 36 -6.004 6.859 1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -7.003 6.106 4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.760 7.297 3.815 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.404 8.655 2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.645 7.467 2.891 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.919 8.929 4.060 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -9.453 9.493 5.668 1.00 0.00 H new ATOM 623 N GLU A 37 -5.478 3.907 2.722 1.00 0.00 N ATOM 624 CA GLU A 37 -4.458 2.890 2.943 1.00 0.00 C ATOM 625 C GLU A 37 -3.729 2.637 1.629 1.00 0.00 C ATOM 626 O GLU A 37 -2.506 2.599 1.587 1.00 0.00 O ATOM 627 CB GLU A 37 -5.069 1.581 3.436 1.00 0.00 C ATOM 628 CG GLU A 37 -5.954 1.699 4.665 1.00 0.00 C ATOM 629 CD GLU A 37 -6.494 0.357 5.081 1.00 0.00 C ATOM 630 OE1 GLU A 37 -7.054 -0.351 4.240 1.00 0.00 O ATOM 631 OE2 GLU A 37 -6.314 -0.044 6.253 1.00 0.00 O ATOM 0 H GLU A 37 -6.436 3.582 2.851 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.770 3.250 3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.655 1.146 2.627 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.262 0.883 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.384 2.134 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.781 2.377 4.456 1.00 0.00 H new ATOM 638 N LEU A 38 -4.507 2.509 0.548 1.00 0.00 N ATOM 639 CA LEU A 38 -3.956 2.314 -0.806 1.00 0.00 C ATOM 640 C LEU A 38 -3.071 3.475 -1.198 1.00 0.00 C ATOM 641 O LEU A 38 -2.007 3.287 -1.792 1.00 0.00 O ATOM 642 CB LEU A 38 -5.062 2.123 -1.870 1.00 0.00 C ATOM 643 CG LEU A 38 -5.669 0.720 -2.028 1.00 0.00 C ATOM 644 CD1 LEU A 38 -4.589 -0.280 -2.396 1.00 0.00 C ATOM 645 CD2 LEU A 38 -6.420 0.278 -0.782 1.00 0.00 C ATOM 0 H LEU A 38 -5.526 2.537 0.581 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.364 1.400 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.872 2.814 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -4.653 2.422 -2.835 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.398 0.764 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.032 -1.270 -2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.125 0.016 -3.337 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.833 -0.305 -1.611 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.832 -0.719 -0.940 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.737 0.258 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.231 0.977 -0.579 1.00 0.00 H new ATOM 657 N ASP A 39 -3.519 4.666 -0.853 1.00 0.00 N ATOM 658 CA ASP A 39 -2.778 5.902 -1.097 1.00 0.00 C ATOM 659 C ASP A 39 -1.397 5.832 -0.459 1.00 0.00 C ATOM 660 O ASP A 39 -0.380 6.170 -1.093 1.00 0.00 O ATOM 661 CB ASP A 39 -3.544 7.094 -0.516 1.00 0.00 C ATOM 662 CG ASP A 39 -2.808 8.409 -0.652 1.00 0.00 C ATOM 663 OD1 ASP A 39 -2.011 8.764 0.249 1.00 0.00 O ATOM 664 OD2 ASP A 39 -3.031 9.130 -1.646 1.00 0.00 O ATOM 0 H ASP A 39 -4.416 4.811 -0.390 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.666 6.028 -2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.509 7.174 -1.016 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.746 6.907 0.539 1.00 0.00 H new ATOM 669 N ARG A 40 -1.361 5.357 0.777 1.00 0.00 N ATOM 670 CA ARG A 40 -0.119 5.271 1.511 1.00 0.00 C ATOM 671 C ARG A 40 0.750 4.150 0.979 1.00 0.00 C ATOM 672 O ARG A 40 1.943 4.334 0.796 1.00 0.00 O ATOM 673 CB ARG A 40 -0.338 5.103 3.028 1.00 0.00 C ATOM 674 CG ARG A 40 -1.247 6.151 3.680 1.00 0.00 C ATOM 675 CD ARG A 40 -0.951 7.567 3.194 1.00 0.00 C ATOM 676 NE ARG A 40 0.452 7.952 3.333 1.00 0.00 N ATOM 677 CZ ARG A 40 1.149 8.604 2.398 1.00 0.00 C ATOM 678 NH1 ARG A 40 0.561 8.967 1.241 1.00 0.00 N ATOM 679 NH2 ARG A 40 2.429 8.904 2.617 1.00 0.00 N ATOM 0 H ARG A 40 -2.180 5.027 1.288 1.00 0.00 H new ATOM 0 HA ARG A 40 0.395 6.220 1.361 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.762 4.115 3.210 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.633 5.130 3.523 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.288 5.907 3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.126 6.109 4.762 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.240 7.650 2.146 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.569 8.270 3.752 1.00 0.00 H new ATOM 0 HE ARG A 40 0.930 7.707 4.200 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.421 8.744 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.098 9.465 0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.873 8.636 3.496 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.965 9.402 1.906 1.00 0.00 H new ATOM 693 N LEU A 41 0.142 3.000 0.703 1.00 0.00 N ATOM 694 CA LEU A 41 0.871 1.838 0.193 1.00 0.00 C ATOM 695 C LEU A 41 1.525 2.153 -1.150 1.00 0.00 C ATOM 696 O LEU A 41 2.680 1.792 -1.385 1.00 0.00 O ATOM 697 CB LEU A 41 -0.043 0.616 0.060 1.00 0.00 C ATOM 698 CG LEU A 41 -0.711 0.103 1.342 1.00 0.00 C ATOM 699 CD1 LEU A 41 -1.636 -1.057 1.023 1.00 0.00 C ATOM 700 CD2 LEU A 41 0.331 -0.320 2.370 1.00 0.00 C ATOM 0 H LEU A 41 -0.859 2.845 0.824 1.00 0.00 H new ATOM 0 HA LEU A 41 1.651 1.601 0.916 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.827 0.856 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.541 -0.199 -0.367 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.297 0.917 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.104 -1.412 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.407 -0.727 0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.062 -1.866 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.170 -0.679 3.269 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.949 -1.117 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.961 0.533 2.622 1.00 0.00 H new ATOM 712 N LEU A 42 0.784 2.837 -2.020 1.00 0.00 N ATOM 713 CA LEU A 42 1.313 3.295 -3.306 1.00 0.00 C ATOM 714 C LEU A 42 2.521 4.203 -3.087 1.00 0.00 C ATOM 715 O LEU A 42 3.547 4.076 -3.759 1.00 0.00 O ATOM 716 CB LEU A 42 0.239 4.070 -4.082 1.00 0.00 C ATOM 717 CG LEU A 42 0.687 4.695 -5.416 1.00 0.00 C ATOM 718 CD1 LEU A 42 1.056 3.633 -6.440 1.00 0.00 C ATOM 719 CD2 LEU A 42 -0.375 5.634 -5.957 1.00 0.00 C ATOM 0 H LEU A 42 -0.191 3.088 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 42 1.614 2.419 -3.881 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.594 3.396 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.141 4.865 -3.441 1.00 0.00 H new ATOM 0 HG LEU A 42 1.586 5.278 -5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.367 4.114 -7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.875 3.025 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.192 2.998 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.035 6.063 -6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.300 5.081 -6.122 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.554 6.434 -5.238 1.00 0.00 H new ATOM 731 N ASN A 43 2.403 5.091 -2.118 1.00 0.00 N ATOM 732 CA ASN A 43 3.457 6.038 -1.833 1.00 0.00 C ATOM 733 C ASN A 43 4.675 5.330 -1.248 1.00 0.00 C ATOM 734 O ASN A 43 5.799 5.721 -1.521 1.00 0.00 O ATOM 735 CB ASN A 43 2.979 7.139 -0.880 1.00 0.00 C ATOM 736 CG ASN A 43 3.974 8.293 -0.750 1.00 0.00 C ATOM 737 OD1 ASN A 43 4.104 8.894 0.316 1.00 0.00 O ATOM 738 ND2 ASN A 43 4.614 8.658 -1.842 1.00 0.00 N ATOM 0 H ASN A 43 1.584 5.174 -1.515 1.00 0.00 H new ATOM 0 HA ASN A 43 3.740 6.506 -2.776 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.024 7.528 -1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.802 6.707 0.105 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.241 9.462 -1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 43 4.482 8.136 -2.709 1.00 0.00 H new ATOM 745 N LEU A 44 4.439 4.254 -0.484 1.00 0.00 N ATOM 746 CA LEU A 44 5.512 3.480 0.160 1.00 0.00 C ATOM 747 C LEU A 44 6.515 2.934 -0.842 1.00 0.00 C ATOM 748 O LEU A 44 7.697 2.839 -0.531 1.00 0.00 O ATOM 749 CB LEU A 44 4.970 2.332 1.022 1.00 0.00 C ATOM 750 CG LEU A 44 4.135 2.707 2.248 1.00 0.00 C ATOM 751 CD1 LEU A 44 3.707 1.453 2.991 1.00 0.00 C ATOM 752 CD2 LEU A 44 4.915 3.634 3.179 1.00 0.00 C ATOM 0 H LEU A 44 3.503 3.896 -0.295 1.00 0.00 H new ATOM 0 HA LEU A 44 6.026 4.187 0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.363 1.689 0.384 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.817 1.736 1.361 1.00 0.00 H new ATOM 0 HG LEU A 44 3.247 3.239 1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.113 1.731 3.862 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.110 0.825 2.330 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.590 0.903 3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.299 3.885 4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.823 3.133 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.181 4.546 2.645 1.00 0.00 H new ATOM 764 N LEU A 45 6.045 2.595 -2.043 1.00 0.00 N ATOM 765 CA LEU A 45 6.918 2.104 -3.116 1.00 0.00 C ATOM 766 C LEU A 45 7.945 3.171 -3.456 1.00 0.00 C ATOM 767 O LEU A 45 9.151 2.913 -3.528 1.00 0.00 O ATOM 768 CB LEU A 45 6.104 1.811 -4.382 1.00 0.00 C ATOM 769 CG LEU A 45 4.985 0.781 -4.272 1.00 0.00 C ATOM 770 CD1 LEU A 45 4.241 0.690 -5.592 1.00 0.00 C ATOM 771 CD2 LEU A 45 5.544 -0.580 -3.885 1.00 0.00 C ATOM 0 H LEU A 45 5.060 2.651 -2.300 1.00 0.00 H new ATOM 0 HA LEU A 45 7.404 1.191 -2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.667 2.748 -4.726 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.794 1.478 -5.157 1.00 0.00 H new ATOM 0 HG LEU A 45 4.292 1.097 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.442 -0.047 -5.509 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.814 1.662 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.932 0.389 -6.379 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.729 -1.300 -3.812 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.254 -0.911 -4.643 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.050 -0.505 -2.922 1.00 0.00 H new ATOM 783 N ILE A 46 7.444 4.369 -3.630 1.00 0.00 N ATOM 784 CA ILE A 46 8.242 5.522 -3.990 1.00 0.00 C ATOM 785 C ILE A 46 9.129 5.900 -2.810 1.00 0.00 C ATOM 786 O ILE A 46 10.332 6.114 -2.956 1.00 0.00 O ATOM 787 CB ILE A 46 7.320 6.726 -4.311 1.00 0.00 C ATOM 788 CG1 ILE A 46 6.214 6.310 -5.296 1.00 0.00 C ATOM 789 CG2 ILE A 46 8.142 7.884 -4.885 1.00 0.00 C ATOM 790 CD1 ILE A 46 5.178 7.381 -5.552 1.00 0.00 C ATOM 0 H ILE A 46 6.451 4.577 -3.524 1.00 0.00 H new ATOM 0 HA ILE A 46 8.846 5.277 -4.864 1.00 0.00 H new ATOM 0 HB ILE A 46 6.848 7.059 -3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.673 6.031 -6.244 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.714 5.422 -4.910 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.483 8.723 -5.106 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.892 8.194 -4.157 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.637 7.560 -5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.435 7.007 -6.257 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.689 7.645 -4.615 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.663 8.264 -5.970 1.00 0.00 H new ATOM 802 N GLU A 47 8.515 5.943 -1.651 1.00 0.00 N ATOM 803 CA GLU A 47 9.144 6.326 -0.404 1.00 0.00 C ATOM 804 C GLU A 47 10.352 5.422 -0.117 1.00 0.00 C ATOM 805 O GLU A 47 11.429 5.923 0.123 1.00 0.00 O ATOM 806 CB GLU A 47 8.074 6.255 0.713 1.00 0.00 C ATOM 807 CG GLU A 47 8.384 6.960 2.039 1.00 0.00 C ATOM 808 CD GLU A 47 9.466 6.317 2.858 1.00 0.00 C ATOM 809 OE1 GLU A 47 9.283 5.159 3.303 1.00 0.00 O ATOM 810 OE2 GLU A 47 10.489 6.982 3.160 1.00 0.00 O ATOM 0 H GLU A 47 7.529 5.704 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 47 9.528 7.345 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.148 6.674 0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.882 5.204 0.928 1.00 0.00 H new ATOM 0 HG2 GLU A 47 8.672 7.990 1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.472 6.999 2.635 1.00 0.00 H new